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All Outputs (7)

Electrostatic self-assembly: understanding the significance of the solvent (2017)
Journal Article
Lindgren, E. B., Derbenev, I. N., Khachatourian, A., Chan, H., Stace, A. J., & Besley, E. (2018). Electrostatic self-assembly: understanding the significance of the solvent. Journal of Chemical Theory and Computation, 14(2), https://doi.org/10.1021/acs.jctc.7b00647

The electrostatic deposition of particles has become a very effective route to the assembly of many nanoscale materials. However, fundamental limitations to the process are presented by the choice of solvent, which can either suppress or promote self... Read More about Electrostatic self-assembly: understanding the significance of the solvent.

Supramolecular heterostructures formed by sequential epitaxial deposition of two-dimensional hydrogen-bonded arrays (2017)
Journal Article
Korolkov, V. V., Baldoni, M., Watanabe, K., Taniguchi, T., Besley, E., & Beton, P. H. (2017). Supramolecular heterostructures formed by sequential epitaxial deposition of two-dimensional hydrogen-bonded arrays. Nature Chemistry, 9(12), 1191-1197. https://doi.org/10.1038/nchem.2824

© 2017 Macmillan Publishers Limited, part of Springer Nature. All rights reserved. Two-dimensional (2D) supramolecular arrays provide a route to the spatial control of the chemical functionality of a surface, but their deposition is in almost all cas... Read More about Supramolecular heterostructures formed by sequential epitaxial deposition of two-dimensional hydrogen-bonded arrays.

Chemical Reactions of Molecules Promoted and Simultaneously Imaged by the Electron Beam in Transmission Electron Microscopy (2017)
Journal Article
Skowron, S. T., Chamberlain, T. W., Biskupek, J., Kaiser, U., Besley, E., & Khlobystov, A. N. (2017). Chemical Reactions of Molecules Promoted and Simultaneously Imaged by the Electron Beam in Transmission Electron Microscopy. Accounts of Chemical Research, 50(8), 1797-1807. https://doi.org/10.1021/acs.accounts.7b00078

The main objective of this Account is to assess the challenges of transmission electron microscopy (TEM) of molecules, based on over 15 years of our work in this field, and to outline the opportunities in studying chemical reactions under the electro... Read More about Chemical Reactions of Molecules Promoted and Simultaneously Imaged by the Electron Beam in Transmission Electron Microscopy.

Coulomb fission in multiply charged molecular clusters: Experiment and theory (2017)
Journal Article
Harris, C., Baptiste, J., Lindgren, E. B., Besley, E., & Stace, A. J. (2017). Coulomb fission in multiply charged molecular clusters: Experiment and theory. Journal of Chemical Physics, 146(16), Article 164302. https://doi.org/10.1063/1.4981918

A series of three multiply charged molecular clusters, (C6H6)nz+ (benzene), (CH3CN)nz+ (acetonitrile), and (C4H8O)nz+ (tetrahydrofuran), where the charge z is either 3 or 4, have been studied for the purpose of identifying patterns of behaviour close... Read More about Coulomb fission in multiply charged molecular clusters: Experiment and theory.

The right isotherms for the right reasons?: validation of generic force fields for prediction of methane adsorption in metal-organic frameworks (2017)
Journal Article
Lennox, M. J., Bound, M., Henley, A., & Besley, E. (2017). The right isotherms for the right reasons?: validation of generic force fields for prediction of methane adsorption in metal-organic frameworks. Molecular Simulation, 43(10-11), 828-837. https://doi.org/10.1080/08927022.2017.1301665

In recent years, the use of computational tools to aid in the evaluation, understanding and design of advanced porous materials for gas storage and separation processes has become ever-more widespread. High-performance computing facilities have becom... Read More about The right isotherms for the right reasons?: validation of generic force fields for prediction of methane adsorption in metal-organic frameworks.

Tailoring porosity and rotational dynamics in a series of octacarboxylate metal-organic frameworks (2017)
Journal Article
Moreau, F., Kolokolov, D. L., Stepanov, A. G., Easun, T. L., Dailly, A., Lewis, W., …Schröder, M. (2017). Tailoring porosity and rotational dynamics in a series of octacarboxylate metal-organic frameworks. Proceedings of the National Academy of Sciences, 114(12), 3056-3061. https://doi.org/10.1073/pnas.1615172114

Modulation and precise control of porosity of metal-organic frameworks (MOFs) are of critical importance to their materials function. Here we report the first modulation of porosity for a series of isoreticular octacarboxylate MOFs, denoted MFM-180 t... Read More about Tailoring porosity and rotational dynamics in a series of octacarboxylate metal-organic frameworks.

Stop-frame filming and discovery of reactions at the single-molecule level by transmission electron microscopy (2017)
Journal Article
Chamberlain, T. W., Biskupek, J., Skowron, S. T., Markevich, A. V., Kurasch, S., Reimer, O., …Khlobystov, A. N. (2017). Stop-frame filming and discovery of reactions at the single-molecule level by transmission electron microscopy. ACS Nano, 11(3), 2509-2520. https://doi.org/10.1021/acsnano.6b08228

We report an approach – named chemTEM – to follow chemical transformations at the single-molecule level with the electron beam of a transmission electron microscope (TEM) applied as both a tuneable source of energy and a sub-Angstrom imaging probe. D... Read More about Stop-frame filming and discovery of reactions at the single-molecule level by transmission electron microscopy.